methyl 4-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-(furan-2-ylmethyl)carbamoyl]benzoate

Systemtic Name: methyl 4-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-(furan-2-ylmethyl)carbamoyl]benzoate Openeye Name: methyl 4-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-(2-furylmethyl)carbamoyl]benzoate CAS Name: 4-[[(4,7-dimethyl-1,3-benzothiazol-2-yl)-(2-furanylmethyl)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-(furan-2-ylmethyl)carbamoyl]benzoate Traditional Name: 4-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-(2-furfuryl)carbamoyl]benzoic acid methyl ester Formula: C23H20N2O4S MolecularWeight: 420.4809

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C)SC(=N2)N(CC3=CC=CO3)C(=O)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=C2C(=C(C=C1)C)SC(=N2)N(CC3=CC=CO3)C(=O)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C23H20N2O4S/c1-14-6-7-15(2)20-19(14)24-23(30-20)25(13-18-5-4-12-29-18)21(26)16-8-10-17(11-9-16)22(27)28-3/h4-12H,13H2,1-3H3