2-[4-[(3-chloranyl-2-methoxycarbonyl-1-benzothiophen-6-yl)carbamothioylamino]phenyl]ethanoic acid

Systemtic Name: 2-[4-[(3-chloranyl-2-methoxycarbonyl-1-benzothiophen-6-yl)carbamothioylamino]phenyl]ethanoic acid Openeye Name: 2-[4-[(3-chloro-2-methoxycarbonyl-benzothiophen-6-yl)carbamothioylamino]phenyl]acetic acid CAS Name: 2-[4-[[[(3-chloro-2-methoxycarbonyl-1-benzothiophen-6-yl)amino]-sulfanylidenemethyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[(3-chloro-2-methoxycarbonyl-1-benzothiophen-6-yl)carbamothioylamino]phenyl]acetic acid Traditional Name: 2-[4-[(2-carbomethoxy-3-chloro-benzothiophen-6-yl)thiocarbamoylamino]phenyl]acetic acid Formula: C19H15ClN2O4S2 MolecularWeight: 434.9164

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=CC=C(C=C3)CC(=O)O)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=CC=C(C=C3)CC(=O)O)Cl

InChI

InChI=1S/C19H15ClN2O4S2/c1-26-18(25)17-16(20)13-7-6-12(9-14(13)28-17)22-19(27)21-11-4-2-10(3-5-11)8-15(23)24/h2-7,9H,8H2,1H3,(H,23,24)(H2,21,22,27)