ethyl 4-[3-(3-nitrophenyl)prop-2-enoylamino]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-[3-(3-nitrophenyl)prop-2-enoylamino]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carboxylate Openeye Name: ethyl 3-allyl-4-[3-(3-nitrophenyl)prop-2-enoylamino]-2-thioxo-thiazole-5-carboxylate CAS Name: 4-[[3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-3-prop-2-enyl-2-sulfanylidene-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(3-nitrophenyl)prop-2-enoylamino]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carboxylate Traditional Name: 3-allyl-4-[[3-(3-nitrophenyl)acryloyl]amino]-2-thioxo-4-thiazoline-5-carboxylic acid ethyl ester Formula: C18H17N3O5S2 MolecularWeight: 419.47468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)S1)CC=C)NC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)S1)CC=C)NC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O5S2/c1-3-10-20-16(15(28-18(20)27)17(23)26-4-2)19-14(22)9-8-12-6-5-7-13(11-12)21(24)25/h3,5-9,11H,1,4,10H2,2H3,(H,19,22)