5-[3-[(Z)-[4,6-bis(oxidanylidene)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]-2-chloranyl-benzoate

Systemtic Name: 5-[3-[(Z)-[4,6-bis(oxidanylidene)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]-2-chloranyl-benzoate Openeye Name: 5-[3-[(Z)-(1-allyl-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]-2-chloro-benzoate CAS Name: 2-chloro-5-[3-[(Z)-(4,6-dioxo-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2,5-dimethyl-1-pyrrolyl]benzoate IUPAC Name: 2-chloro-5-[3-[(Z)-(4,6-dioxo-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 5-[3-[(Z)-(1-allyl-4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]-2-chloro-benzoate Formula: C21H17ClN3O4S- MolecularWeight: 442.89538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=C(C=C2)Cl)C(=O)[O-])C)C=C3C(=O)NC(=S)N(C3=O)CC=C

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=C(C=C2)Cl)C(=O)[O-])C)/C=C\3/C(=O)NC(=S)N(C3=O)CC=C

InChI

InChI=1S/C21H18ClN3O4S/c1-4-7-24-19(27)16(18(26)23-21(24)30)9-13-8-11(2)25(12(13)3)14-5-6-17(22)15(10-14)20(28)29/h4-6,8-10H,1,7H2,2-3H3,(H,28,29)(H,23,26,30)/p-1/b16-9-