ethyl 4-[[4-oxidanylidene-3-phenethyl-6-[(4-propoxyphenyl)carbamoyl]-1,3-thiazinan-2-ylidene]amino]benzoate

Systemtic Name: ethyl 4-[[4-oxidanylidene-3-phenethyl-6-[(4-propoxyphenyl)carbamoyl]-1,3-thiazinan-2-ylidene]amino]benzoate Openeye Name: ethyl 4-[[4-oxo-3-phenethyl-6-[(4-propoxyphenyl)carbamoyl]-1,3-thiazinan-2-ylidene]amino]benzoate CAS Name: 4-[[4-oxo-6-[oxo-(4-propoxyanilino)methyl]-3-phenethyl-1,3-thiazinan-2-ylidene]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-oxo-3-phenethyl-6-[(4-propoxyphenyl)carbamoyl]-1,3-thiazinan-2-ylidene]amino]benzoate Traditional Name: 4-[[4-keto-3-phenethyl-6-[(4-propoxyphenyl)carbamoyl]-1,3-thiazinan-2-ylidene]amino]benzoic acid ethyl ester Formula: C31H33N3O5S MolecularWeight: 559.67582

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)NC(=O)C2CC(=O)N(C(=NC3=CC=C(C=C3)C(=O)OCC)S2)CCC4=CC=CC=C4

Isomeric SMILES

CCCOC1=CC=C(C=C1)NC(=O)C2CC(=O)N(C(=NC3=CC=C(C=C3)C(=O)OCC)S2)CCC4=CC=CC=C4

InChI

InChI=1S/C31H33N3O5S/c1-3-20-39-26-16-14-24(15-17-26)32-29(36)27-21-28(35)34(19-18-22-8-6-5-7-9-22)31(40-27)33-25-12-10-23(11-13-25)30(37)38-4-2/h5-17,27H,3-4,18-21H2,1-2H3,(H,32,36)