methyl 2-[(7-methoxy-1-benzoxepin-4-yl)carbonylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[(7-methoxy-1-benzoxepin-4-yl)carbonylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(7-methoxy-1-benzoxepine-4-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(7-methoxy-1-benzoxepin-4-yl)-oxomethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(7-methoxy-1-benzoxepine-4-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(7-methoxy-1-benzoxepin-4-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C23H23NO5S MolecularWeight: 425.49742

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC4=C(C=CC(=C4)OC)OC=C3

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC4=C(C=CC(=C4)OC)OC=C3

InChI

InChI=1S/C23H23NO5S/c1-13-4-6-17-19(10-13)30-22(20(17)23(26)28-3)24-21(25)14-8-9-29-18-7-5-16(27-2)12-15(18)11-14/h5,7-9,11-13H,4,6,10H2,1-3H3,(H,24,25)