O-ethyl [2-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-prop-2-enyl-amino]-2-oxidanylidene-ethyl]sulfanylmethanethioate

Systemtic Name: O-ethyl [2-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-prop-2-enyl-amino]-2-oxidanylidene-ethyl]sulfanylmethanethioate Openeye Name: O-ethyl [2-[allyl-[4-(4-nitrophenyl)thiazol-2-yl]amino]-2-oxo-ethyl]sulfanylmethanethioate CAS Name: [[2-[[4-(4-nitrophenyl)-2-thiazolyl]-prop-2-enylamino]-2-oxoethyl]thio]methanethioic acid O-ethyl ester IUPAC Name: O-ethyl [2-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-prop-2-enylamino]-2-oxoethyl]sulfanylmethanethioate Traditional Name: [[2-[allyl-[4-(4-nitrophenyl)thiazol-2-yl]amino]-2-keto-ethyl]thio]methanethioic acid O-ethyl ester Formula: C17H17N3O4S3 MolecularWeight: 423.52958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SCC(=O)N(CC=C)C1=NC(=CS1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=S)SCC(=O)N(CC=C)C1=NC(=CS1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O4S3/c1-3-9-19(15(21)11-27-17(25)24-4-2)16-18-14(10-26-16)12-5-7-13(8-6-12)20(22)23/h3,5-8,10H,1,4,9,11H2,2H3