2-[1-[2-[(3-chlorophenyl)amino]-2-oxidanylidene-ethyl]-2,4-bis(oxidanylidene)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl]ethanoic acid

Systemtic Name: 2-[1-[2-[(3-chlorophenyl)amino]-2-oxidanylidene-ethyl]-2,4-bis(oxidanylidene)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl]ethanoic acid Openeye Name: 2-[1-[2-(3-chloroanilino)-2-oxo-ethyl]-2,4-dioxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-3-yl]acetic acid CAS Name: 2-[1-[2-(3-chloroanilino)-2-oxoethyl]-2,4-dioxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl]acetic acid IUPAC Name: 2-[1-[2-(3-chloroanilino)-2-oxoethyl]-2,4-dioxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl]acetic acid Traditional Name: 2-[1-[2-(3-chloroanilino)-2-keto-ethyl]-2,4-diketo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-3-yl]acetic acid Formula: C20H18ClN3O5S MolecularWeight: 447.89202

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(S2)N(C(=O)N(C3=O)CC(=O)O)CC(=O)NC4=CC(=CC=C4)Cl

Isomeric SMILES

C1CCC2=C(C1)C3=C(S2)N(C(=O)N(C3=O)CC(=O)O)CC(=O)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H18ClN3O5S/c21-11-4-3-5-12(8-11)22-15(25)9-24-19-17(13-6-1-2-7-14(13)30-19)18(28)23(20(24)29)10-16(26)27/h3-5,8H,1-2,6-7,9-10H2,(H,22,25)(H,26,27)