methyl 4-[[2-[(2,3-dimethoxyphenyl)methylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[2-[(2,3-dimethoxyphenyl)methylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[2-[(2,3-dimethoxyphenyl)methylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl]amino]benzoate CAS Name: 4-[[[2-[(2,3-dimethoxyphenyl)methylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(2,3-dimethoxyphenyl)methylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]benzoate Traditional Name: 4-[[6-methyl-2-(o-veratrylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl]amino]benzoic acid methyl ester Formula: C27H30N2O5S MolecularWeight: 494.6025

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)NC3=CC=C(C=C3)C(=O)OC)NCC4=C(C(=CC=C4)OC)OC

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)NC3=CC=C(C=C3)C(=O)OC)NCC4=C(C(=CC=C4)OC)OC

InChI

InChI=1S/C27H30N2O5S/c1-16-8-13-20-22(14-16)35-26(28-15-18-6-5-7-21(32-2)24(18)33-3)23(20)25(30)29-19-11-9-17(10-12-19)27(31)34-4/h5-7,9-12,16,28H,8,13-15H2,1-4H3,(H,29,30)