(6S)-6-methyl-2-(2-thiophen-2-ylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: (6S)-6-methyl-2-(2-thiophen-2-ylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: (6S)-6-methyl-2-[[2-(2-thienyl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-6-methyl-2-[(1-oxo-2-thiophen-2-ylethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate IUPAC Name: (6S)-6-methyl-2-[(2-thiophen-2-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-6-methyl-2-[[2-(2-thienyl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Formula: C16H16NO3S2- MolecularWeight: 334.43314

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)[O-])NC(=O)CC3=CC=CS3

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C(=O)[O-])NC(=O)CC3=CC=CS3

InChI

InChI=1S/C16H17NO3S2/c1-9-4-5-11-12(7-9)22-15(14(11)16(19)20)17-13(18)8-10-3-2-6-21-10/h2-3,6,9H,4-5,7-8H2,1H3,(H,17,18)(H,19,20)/p-1/t9-/m0/s1