2-[(3-propoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: 2-[(3-propoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 2-[(3-propoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamoyl]cyclohexanecarboxylic acid CAS Name: 2-[oxo-[[3-[oxo(propoxy)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[(3-propoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 2-[(3-propoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamoyl]cyclohexanecarboxylic acid Formula: C21H29NO5S MolecularWeight: 407.52366

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3CCCCC3C(=O)O

Isomeric SMILES

CCCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3CCCCC3C(=O)O

InChI

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