ethyl 4-[[4-(3-nitrophenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]benzoate

Systemtic Name: ethyl 4-[[4-(3-nitrophenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]benzoate Openeye Name: ethyl 4-[[3-allyl-4-(3-nitrophenyl)thiazol-2-ylidene]amino]benzoate CAS Name: 4-[[4-(3-nitrophenyl)-3-prop-2-enyl-2-thiazolylidene]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(3-nitrophenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]benzoate Traditional Name: 4-[[3-allyl-4-(3-nitrophenyl)-4-thiazolin-2-ylidene]amino]benzoic acid ethyl ester Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N=C2N(C(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])CC=C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N=C2N(C(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])CC=C

InChI

InChI=1S/C21H19N3O4S/c1-3-12-23-19(16-6-5-7-18(13-16)24(26)27)14-29-21(23)22-17-10-8-15(9-11-17)20(25)28-4-2/h3,5-11,13-14H,1,4,12H2,2H3