ethyl (3aR,7aR)-2-benzamido-3a,4,5,6,7,7a-hexahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl (3aR,7aR)-2-benzamido-3a,4,5,6,7,7a-hexahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl (3aR,7aR)-2-benzamido-3a,4,5,6,7,7a-hexahydrobenzothiophene-3-carboxylate CAS Name: (3aR,7aR)-2-benzamido-3a,4,5,6,7,7a-hexahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3aR,7aR)-2-benzamido-3a,4,5,6,7,7a-hexahydro-1-benzothiophene-3-carboxylate Traditional Name: (3aR,7aR)-2-benzamido-3a,4,5,6,7,7a-hexahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2C1CCCC2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(S[C@H]2[C@@H]1CCCC2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H21NO3S/c1-2-22-18(21)15-13-10-6-7-11-14(13)23-17(15)19-16(20)12-8-4-3-5-9-12/h3-5,8-9,13-14H,2,6-7,10-11H2,1H3,(H,19,20)/t13-,14+/m0/s1