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

Systemtic Name: methyl 4-[(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-(furan-2-ylmethyl)carbamoyl]benzoate Openeye Name: methyl 4-[(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-(2-furylmethyl)carbamoyl]benzoate CAS Name: 4-[[(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-(2-furanylmethyl)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-(furan-2-ylmethyl)carbamoyl]benzoate Traditional Name: 4-[(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-(2-furfuryl)carbamoyl]benzoic acid methyl ester Formula: C22H17ClN2O4S MolecularWeight: 440.89938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17ClN2O4S/c1-13-5-10-17(23)19-18(13)24-22(30-19)25(12-16-4-3-11-29-16)20(26)14-6-8-15(9-7-14)21(27)28-2/h3-11H,12H2,1-2H3