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

Systemtic Name: methyl 6-methyl-2-[(7-methyl-1-benzoxepin-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-methyl-2-[(7-methyl-1-benzoxepine-4-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[(7-methyl-1-benzoxepin-4-yl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-methyl-2-[(7-methyl-1-benzoxepine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-[(7-methyl-1-benzoxepin-4-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C23H23NO4S MolecularWeight: 409.49802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23NO4S/c1-13-5-7-18-16(10-13)12-15(8-9-28-18)21(25)24-22-20(23(26)27-3)17-6-4-14(2)11-19(17)29-22/h5,7-10,12,14H,4,6,11H2,1-3H3,(H,24,25)