ethyl 4-[[6-aminocarbonyl-3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-1,3-thiazinan-2-ylidene]amino]benzoate

Systemtic Name: ethyl 4-[[6-aminocarbonyl-3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-1,3-thiazinan-2-ylidene]amino]benzoate Openeye Name: ethyl 4-[[3-(1,3-benzodioxol-5-ylmethyl)-6-carbamoyl-4-oxo-1,3-thiazinan-2-ylidene]amino]benzoate CAS Name: 4-[[3-(1,3-benzodioxol-5-ylmethyl)-6-carbamoyl-4-oxo-1,3-thiazinan-2-ylidene]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(1,3-benzodioxol-5-ylmethyl)-6-carbamoyl-4-oxo-1,3-thiazinan-2-ylidene]amino]benzoate Traditional Name: 4-[(6-carbamoyl-4-keto-3-piperonyl-1,3-thiazinan-2-ylidene)amino]benzoic acid ethyl ester Formula: C22H21N3O6S MolecularWeight: 455.48364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N=C2N(C(=O)CC(S2)C(=O)N)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N=C2N(C(=O)CC(S2)C(=O)N)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H21N3O6S/c1-2-29-21(28)14-4-6-15(7-5-14)24-22-25(19(26)10-18(32-22)20(23)27)11-13-3-8-16-17(9-13)31-12-30-16/h3-9,18H,2,10-12H2,1H3,(H2,23,27)