2-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid

Systemtic Name: 2-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid Openeye Name: 2-[[1-(3-isopropenylphenyl)-1-methyl-ethyl]carbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid CAS Name: 2-[[[2-[3-(1-methylethenyl)phenyl]propan-2-ylamino]-oxomethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid IUPAC Name: 2-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid Traditional Name: 2-[[1-(3-isopropenylphenyl)-1-methyl-ethyl]carbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)NC2=C(C3=C(S2)CCC3)C(=O)O

Isomeric SMILES

CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)NC2=C(C3=C(S2)CCC3)C(=O)O

InChI

InChI=1S/C21H24N2O3S/c1-12(2)13-7-5-8-14(11-13)21(3,4)23-20(26)22-18-17(19(24)25)15-9-6-10-16(15)27-18/h5,7-8,11H,1,6,9-10H2,2-4H3,(H,24,25)(H2,22,23,26)