(6S)-2-(1-adamantylcarbonylamino)-N-(2-ethoxyphenyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: (6S)-2-(1-adamantylcarbonylamino)-N-(2-ethoxyphenyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: (6S)-2-(adamantane-1-carbonylamino)-N-(2-ethoxyphenyl)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: (6S)-2-[[1-adamantyl(oxo)methyl]amino]-N-(2-ethoxyphenyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: (6S)-2-(adamantane-1-carbonylamino)-N-(2-ethoxyphenyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: (6S)-2-(adamantane-1-carbonylamino)-6-methyl-N-o-phenetyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C29H36N2O3S MolecularWeight: 492.67274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C2=C(SC3=C2CCC(C3)C)NC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C2=C(SC3=C2CC[C@@H](C3)C)NC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C29H36N2O3S/c1-3-34-23-7-5-4-6-22(23)30-26(32)25-21-9-8-17(2)10-24(21)35-27(25)31-28(33)29-14-18-11-19(15-29)13-20(12-18)16-29/h4-7,17-20H,3,8-16H2,1-2H3,(H,30,32)(H,31,33)/t17-,18?,19?,20?,29?/m0/s1