3-[5-[(3-methylthiophen-2-yl)methylidene]-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid

Systemtic Name: 3-[5-[(3-methylthiophen-2-yl)methylidene]-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Openeye Name: 3-[5-[(3-methyl-2-thienyl)methylene]-4,6-dioxo-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid CAS Name: 3-[5-[(3-methyl-2-thiophenyl)methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid IUPAC Name: 3-[5-[(3-methylthiophen-2-yl)methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Traditional Name: 3-[4,6-diketo-5-[(3-methyl-2-thienyl)methylene]-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid Formula: C17H12N2O4S2 MolecularWeight: 372.41818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC1=C(SC=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C17H12N2O4S2/c1-9-5-6-25-13(9)8-12-14(20)18-17(24)19(15(12)21)11-4-2-3-10(7-11)16(22)23/h2-8H,1H3,(H,22,23)(H,18,20,24)