6-[(3-butoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[(3-butoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[(3-butoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[[3-[butoxy(oxo)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-oxomethyl]-3,4-dimethyl-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[(3-butoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[(3-butoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Formula: C23H31NO5S MolecularWeight: 433.56094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3CC(=C(CC3C(=O)O)C)C

Isomeric SMILES

CCCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3CC(=C(CC3C(=O)O)C)C

InChI

InChI=1S/C23H31NO5S/c1-4-5-10-29-23(28)19-15-8-6-7-9-18(15)30-21(19)24-20(25)16-11-13(2)14(3)12-17(16)22(26)27/h16-17H,4-12H2,1-3H3,(H,24,25)(H,26,27)