(1R,6R)-6-[(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1R,6R)-6-[(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6R)-6-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1R,6R)-6-[[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6R)-6-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6R)-6-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C17H19N2O4S- MolecularWeight: 347.40876

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3CC=CCC3C(=O)[O-])C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])C(=O)N

InChI

InChI=1S/C17H20N2O4S/c18-14(20)13-11-7-3-4-8-12(11)24-16(13)19-15(21)9-5-1-2-6-10(9)17(22)23/h1-2,9-10H,3-8H2,(H2,18,20)(H,19,21)(H,22,23)/p-1/t9-,10-/m1/s1