(1R,6S)-6-[[3-aminocarbonyl-5-(phenylmethyl)thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1R,6S)-6-[[3-aminocarbonyl-5-(phenylmethyl)thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1R,6S)-6-[(5-benzyl-3-carbamoyl-2-thienyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1R,6S)-6-[[[3-carbamoyl-5-(phenylmethyl)-2-thiophenyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1R,6S)-6-[(5-benzyl-3-carbamoylthiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1R,6S)-6-[(5-benzyl-3-carbamoyl-2-thienyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)N)C(=O)O

Isomeric SMILES

C1C=CC[C@H]([C@H]1C(=O)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)N)C(=O)O

InChI

InChI=1S/C20H20N2O4S/c21-17(23)16-11-13(10-12-6-2-1-3-7-12)27-19(16)22-18(24)14-8-4-5-9-15(14)20(25)26/h1-7,11,14-15H,8-10H2,(H2,21,23)(H,22,24)(H,25,26)/t14-,15+/m0/s1