(4-chlorophenyl) 4-azanyl-5-[[(2R,3R)-3-[2,4-bis(fluoranyl)phenyl]-3-oxidanyl-4-(1,2,4-triazol-1-yl)butan-2-yl]carbamoyl]thiophene-2-sulfinate

Systemtic Name: (4-chlorophenyl) 4-azanyl-5-[[(2R,3R)-3-[2,4-bis(fluoranyl)phenyl]-3-oxidanyl-4-(1,2,4-triazol-1-yl)butan-2-yl]carbamoyl]thiophene-2-sulfinate Openeye Name: (4-chlorophenyl) 4-amino-5-[[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]carbamoyl]thiophene-2-sulfinate CAS Name: 4-amino-5-[[[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]amino]-oxomethyl]-2-thiophenesulfinic acid (4-chlorophenyl) ester IUPAC Name: (4-chlorophenyl) 4-amino-5-[[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]carbamoyl]thiophene-2-sulfinate Traditional Name: 4-amino-5-[[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]carbamoyl]thiophene-2-sulfinic acid (4-chlorophenyl) ester Formula: C23H20ClF2N5O4S2 MolecularWeight: 568.015806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)NC(=O)C3=C(C=C(S3)S(=O)OC4=CC=C(C=C4)Cl)N

Isomeric SMILES

C[C@H]([C@](CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)NC(=O)C3=C(C=C(S3)S(=O)OC4=CC=C(C=C4)Cl)N

InChI

InChI=1S/C23H20ClF2N5O4S2/c1-13(23(33,10-31-12-28-11-29-31)17-7-4-15(25)8-18(17)26)30-22(32)21-19(27)9-20(36-21)37(34)35-16-5-2-14(24)3-6-16/h2-9,11-13,33H,10,27H2,1H3,(H,30,32)/t13-,23-,37?/m1/s1