2-[4-[(3-methoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioylamino]phenyl]ethanoic acid

Systemtic Name: 2-[4-[(3-methoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioylamino]phenyl]ethanoic acid Openeye Name: 2-[4-[(3-methoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioylamino]phenyl]acetic acid CAS Name: 2-[4-[[[(3-methoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-sulfanylidenemethyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[(3-methoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioylamino]phenyl]acetic acid Traditional Name: 2-[4-[(3-carbomethoxy-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)thiocarbamoylamino]phenyl]acetic acid Formula: C18H18N2O4S2 MolecularWeight: 390.47652

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC2)NC(=S)NC3=CC=C(C=C3)CC(=O)O

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCC2)NC(=S)NC3=CC=C(C=C3)CC(=O)O

InChI

InChI=1S/C18H18N2O4S2/c1-24-17(23)15-12-3-2-4-13(12)26-16(15)20-18(25)19-11-7-5-10(6-8-11)9-14(21)22/h5-8H,2-4,9H2,1H3,(H,21,22)(H2,19,20,25)