3-[2,5-dimethyl-3-[(E)-(4-oxidanidyl-2-sulfanylidene-1,3-thiazol-5-ylidene)methyl]pyrrol-1-yl]-2-methyl-benzoate

Systemtic Name: 3-[2,5-dimethyl-3-[(E)-(4-oxidanidyl-2-sulfanylidene-1,3-thiazol-5-ylidene)methyl]pyrrol-1-yl]-2-methyl-benzoate Openeye Name: 3-[2,5-dimethyl-3-[(E)-(4-oxido-2-thioxo-thiazol-5-ylidene)methyl]pyrrol-1-yl]-2-methyl-benzoate CAS Name: 3-[2,5-dimethyl-3-[(E)-(4-oxido-2-sulfanylidene-5-thiazolylidene)methyl]-1-pyrrolyl]-2-methylbenzoate IUPAC Name: 3-[2,5-dimethyl-3-[(E)-(4-oxido-2-sulfanylidene-1,3-thiazol-5-ylidene)methyl]pyrrol-1-yl]-2-methylbenzoate Traditional Name: 3-[2,5-dimethyl-3-[(E)-(4-oxido-2-thioxo-3-thiazolin-5-ylidene)methyl]pyrrol-1-yl]-2-methyl-benzoate Formula: C18H14N2O3S2-2 MolecularWeight: 370.44536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC(=C2C)C(=O)[O-])C)C=C3C(=NC(=S)S3)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC(=C2C)C(=O)[O-])C)/C=C/3\C(=NC(=S)S3)[O-]

InChI

InChI=1S/C18H16N2O3S2/c1-9-7-12(8-15-16(21)19-18(24)25-15)11(3)20(9)14-6-4-5-13(10(14)2)17(22)23/h4-8H,1-3H3,(H,22,23)(H,19,21,24)/p-2/b15-8+