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

Systemtic Name: ethyl 4-[[6-[(4-hexoxyphenyl)carbamoyl]-4-oxidanylidene-3-(3-phenylpropyl)-1,3-thiazinan-2-ylidene]amino]benzoate Openeye Name: ethyl 4-[[6-[(4-hexoxyphenyl)carbamoyl]-4-oxo-3-(3-phenylpropyl)-1,3-thiazinan-2-ylidene]amino]benzoate CAS Name: 4-[[6-[(4-hexoxyanilino)-oxomethyl]-4-oxo-3-(3-phenylpropyl)-1,3-thiazinan-2-ylidene]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[6-[(4-hexoxyphenyl)carbamoyl]-4-oxo-3-(3-phenylpropyl)-1,3-thiazinan-2-ylidene]amino]benzoate Traditional Name: 4-[[6-[(4-hexoxyphenyl)carbamoyl]-4-keto-3-(3-phenylpropyl)-1,3-thiazinan-2-ylidene]amino]benzoic acid ethyl ester Formula: C35H41N3O5S MolecularWeight: 615.78214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)NC(=O)C2CC(=O)N(C(=NC3=CC=C(C=C3)C(=O)OCC)S2)CCCC4=CC=CC=C4

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)NC(=O)C2CC(=O)N(C(=NC3=CC=C(C=C3)C(=O)OCC)S2)CCCC4=CC=CC=C4

InChI

InChI=1S/C35H41N3O5S/c1-3-5-6-10-24-43-30-21-19-28(20-22-30)36-33(40)31-25-32(39)38(23-11-14-26-12-8-7-9-13-26)35(44-31)37-29-17-15-27(16-18-29)34(41)42-4-2/h7-9,12-13,15-22,31H,3-6,10-11,14,23-25H2,1-2H3,(H,36,40)