2-[3-[(phenylmethyl)-thiophen-3-yl-carbamoyl]-1,2,3,4-tetrahydrocarbazol-9-yl]ethanoic acid

Systemtic Name: 2-[3-[(phenylmethyl)-thiophen-3-yl-carbamoyl]-1,2,3,4-tetrahydrocarbazol-9-yl]ethanoic acid Openeye Name: 2-[3-[benzyl(3-thienyl)carbamoyl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid CAS Name: 2-[3-[oxo-[(phenylmethyl)-(3-thiophenyl)amino]methyl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid IUPAC Name: 2-[3-[benzyl(thiophen-3-yl)carbamoyl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid Traditional Name: 2-[3-[benzyl(3-thienyl)carbamoyl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid Formula: C26H24N2O3S MolecularWeight: 444.54536

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CC1C(=O)N(CC3=CC=CC=C3)C4=CSC=C4)C5=CC=CC=C5N2CC(=O)O

Isomeric SMILES

C1CC2=C(CC1C(=O)N(CC3=CC=CC=C3)C4=CSC=C4)C5=CC=CC=C5N2CC(=O)O

InChI

InChI=1S/C26H24N2O3S/c29-25(30)16-28-23-9-5-4-8-21(23)22-14-19(10-11-24(22)28)26(31)27(20-12-13-32-17-20)15-18-6-2-1-3-7-18/h1-9,12-13,17,19H,10-11,14-16H2,(H,29,30)