ethyl 2-[(7-bromanyl-1-benzoxepin-4-yl)carbonylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(7-bromanyl-1-benzoxepin-4-yl)carbonylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(7-bromo-1-benzoxepine-4-carbonyl)amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[(7-bromo-1-benzoxepin-4-yl)-oxomethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(7-bromo-1-benzoxepine-4-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[(7-bromo-1-benzoxepin-4-carbonyl)amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H18BrNO4S MolecularWeight: 448.33022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=CC3=C(C=CC(=C3)Br)OC=C2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=CC3=C(C=CC(=C3)Br)OC=C2

InChI

InChI=1S/C20H18BrNO4S/c1-4-25-20(24)17-11(2)12(3)27-19(17)22-18(23)13-7-8-26-16-6-5-15(21)10-14(16)9-13/h5-10H,4H2,1-3H3,(H,22,23)