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

Systemtic Name: (1S,2R)-2-[(3-butoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2R)-2-[(3-butoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]cyclohexanecarboxylate CAS Name: (1S,2R)-2-[[[3-[butoxy(oxo)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2R)-2-[(3-butoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-[(3-butoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]cyclohexanecarboxylate Formula: C21H28NO5S- MolecularWeight: 406.51572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3CCCCC3C(=O)[O-]

Isomeric SMILES

CCCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-]

InChI

InChI=1S/C21H29NO5S/c1-2-3-12-27-21(26)17-15-10-6-7-11-16(15)28-19(17)22-18(23)13-8-4-5-9-14(13)20(24)25/h13-14H,2-12H2,1H3,(H,22,23)(H,24,25)/p-1/t13-,14+/m1/s1