ethyl 4-[(4-oxidanylidene-3-prop-2-enyl-2-prop-2-enylimino-1,3-thiazin-6-yl)carbonylamino]benzoate

Systemtic Name: ethyl 4-[(4-oxidanylidene-3-prop-2-enyl-2-prop-2-enylimino-1,3-thiazin-6-yl)carbonylamino]benzoate Openeye Name: ethyl 4-[(3-allyl-2-allylimino-4-oxo-1,3-thiazine-6-carbonyl)amino]benzoate CAS Name: 4-[[oxo-(4-oxo-3-prop-2-enyl-2-prop-2-enylimino-1,3-thiazin-6-yl)methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-oxo-3-prop-2-enyl-2-prop-2-enylimino-1,3-thiazine-6-carbonyl)amino]benzoate Traditional Name: 4-[(3-allyl-2-allylimino-4-keto-1,3-thiazine-6-carbonyl)amino]benzoic acid ethyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=O)N(C(=NCC=C)S2)CC=C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=O)N(C(=NCC=C)S2)CC=C

InChI

InChI=1S/C20H21N3O4S/c1-4-11-21-20-23(12-5-2)17(24)13-16(28-20)18(25)22-15-9-7-14(8-10-15)19(26)27-6-3/h4-5,7-10,13H,1-2,6,11-12H2,3H3,(H,22,25)