ethyl 2-[[1-(2-methylphenyl)carbonylpiperidin-4-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[1-(2-methylphenyl)carbonylpiperidin-4-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[1-(2-methylbenzoyl)-4-piperidyl]methylcarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[[1-[(2-methylphenyl)-oxomethyl]-4-piperidinyl]methylamino]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-(2-methylbenzoyl)piperidin-4-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(1-o-toluoyl-4-piperidyl)methylcarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C26H33N3O4S MolecularWeight: 483.62292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)NCC3CCN(CC3)C(=O)C4=CC=CC=C4C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)NCC3CCN(CC3)C(=O)C4=CC=CC=C4C

InChI

InChI=1S/C26H33N3O4S/c1-3-33-25(31)22-20-10-6-7-11-21(20)34-23(22)28-26(32)27-16-18-12-14-29(15-13-18)24(30)19-9-5-4-8-17(19)2/h4-5,8-9,18H,3,6-7,10-16H2,1-2H3,(H2,27,28,32)