methyl 2-(1-benzoxepin-4-ylcarbonylamino)-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(1-benzoxepin-4-ylcarbonylamino)-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-(1-benzoxepine-4-carbonylamino)-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[1-benzoxepin-4-yl(oxo)methyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(1-benzoxepine-4-carbonylamino)-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-(1-benzoxepin-4-carbonylamino)-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C19H17NO4S MolecularWeight: 355.40758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC3=CC=CC=C3OC=C2)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC3=CC=CC=C3OC=C2)C

InChI

InChI=1S/C19H17NO4S/c1-11-12(2)25-18(16(11)19(22)23-3)20-17(21)14-8-9-24-15-7-5-4-6-13(15)10-14/h4-10H,1-3H3,(H,20,21)