methyl 4-[(E)-[3-(2-azanylethyl)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoate

Systemtic Name: methyl 4-[(E)-[3-(2-azanylethyl)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoate Openeye Name: methyl 4-[(E)-[3-(2-aminoethyl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]methyl]benzoate CAS Name: 4-[(E)-[3-(2-aminoethyl)-4-oxo-2-sulfanylidene-5-thiazolidinylidene]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-[3-(2-aminoethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoate Traditional Name: 4-[(E)-[3-(2-aminoethyl)-4-keto-2-thioxo-thiazolidin-5-ylidene]methyl]benzoic acid methyl ester Formula: C14H14N2O3S2 MolecularWeight: 322.40256

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CCN

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CCN

InChI

InChI=1S/C14H14N2O3S2/c1-19-13(18)10-4-2-9(3-5-10)8-11-12(17)16(7-6-15)14(20)21-11/h2-5,8H,6-7,15H2,1H3/b11-8+