[2-[(4-ethylphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: [2-[(4-ethylphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [2-[(4-ethylphenyl)methyl-methyl-amino]-2-oxo-ethyl] 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [2-[(4-ethylbenzyl)-methyl-amino]-2-keto-ethyl] ester Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN(C)C(=O)COC(=O)C2=C(SC3=C2CCCC3)NC(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)CN(C)C(=O)COC(=O)C2=C(SC3=C2CCCC3)NC(=O)C

InChI

InChI=1S/C23H28N2O4S/c1-4-16-9-11-17(12-10-16)13-25(3)20(27)14-29-23(28)21-18-7-5-6-8-19(18)30-22(21)24-15(2)26/h9-12H,4-8,13-14H2,1-3H3,(H,24,26)