methyl 2-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamoylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamoylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(1,3-benzothiazol-2-yl)anilino]-oxomethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamoylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C22H19N3O3S2 MolecularWeight: 437.53456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C22H19N3O3S2/c1-12-13(2)29-20(18(12)21(26)28-3)25-22(27)23-15-10-8-14(9-11-15)19-24-16-6-4-5-7-17(16)30-19/h4-11H,1-3H3,(H2,23,25,27)