ethyl 5-[[2-(1,3-benzothiazol-2-yl)phenyl]carbonylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[[2-(1,3-benzothiazol-2-yl)phenyl]carbonylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[[2-(1,3-benzothiazol-2-yl)benzoyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[[2-(1,3-benzothiazol-2-yl)phenyl]-oxomethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(1,3-benzothiazol-2-yl)benzoyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[[2-(1,3-benzothiazol-2-yl)benzoyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C22H18N2O3S2 MolecularWeight: 422.51992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)C2=CC=CC=C2C3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)C2=CC=CC=C2C3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C22H18N2O3S2/c1-3-27-22(26)19-13(2)12-18(29-19)24-20(25)14-8-4-5-9-15(14)21-23-16-10-6-7-11-17(16)28-21/h4-12H,3H2,1-2H3,(H,24,25)