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

Systemtic Name: (1S,2R)-2-[(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2R)-2-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]cyclohexanecarboxylate CAS Name: (1S,2R)-2-[[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2R)-2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]cyclohexanecarboxylate Formula: C17H21N2O4S- MolecularWeight: 349.42464

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)C(=O)[O-]

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)C(=O)[O-]

InChI

InChI=1S/C17H22N2O4S/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/h9-10H,1-8H2,(H2,18,20)(H,19,21)(H,22,23)/p-1/t9-,10+/m1/s1