2-[3-[(E)-[4,6-bis(oxidanylidene)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]indol-1-yl]ethanoic acid

Systemtic Name: 2-[3-[(E)-[4,6-bis(oxidanylidene)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]indol-1-yl]ethanoic acid Openeye Name: 2-[3-[(E)-(1-allyl-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]indol-1-yl]acetic acid CAS Name: 2-[3-[(E)-(4,6-dioxo-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-1-indolyl]acetic acid IUPAC Name: 2-[3-[(E)-(4,6-dioxo-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]indol-1-yl]acetic acid Traditional Name: 2-[3-[(E)-(1-allyl-4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]indol-1-yl]acetic acid Formula: C18H15N3O4S MolecularWeight: 369.3944

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(=CC2=CN(C3=CC=CC=C32)CC(=O)O)C(=O)NC1=S

Isomeric SMILES

C=CCN1C(=O)/C(=C/C2=CN(C3=CC=CC=C32)CC(=O)O)/C(=O)NC1=S

InChI

InChI=1S/C18H15N3O4S/c1-2-7-21-17(25)13(16(24)19-18(21)26)8-11-9-20(10-15(22)23)14-6-4-3-5-12(11)14/h2-6,8-9H,1,7,10H2,(H,22,23)(H,19,24,26)/b13-8+