[2-(1,3-benzothiazol-2-yl)-5-[(4-propoxyphenyl)carbonylamino]phenyl] 4-propoxybenzoate

Systemtic Name: [2-(1,3-benzothiazol-2-yl)-5-[(4-propoxyphenyl)carbonylamino]phenyl] 4-propoxybenzoate Openeye Name: [2-(1,3-benzothiazol-2-yl)-5-[(4-propoxybenzoyl)amino]phenyl] 4-propoxybenzoate CAS Name: 4-propoxybenzoic acid [2-(1,3-benzothiazol-2-yl)-5-[[oxo-(4-propoxyphenyl)methyl]amino]phenyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-yl)-5-[(4-propoxybenzoyl)amino]phenyl] 4-propoxybenzoate Traditional Name: 4-propoxybenzoic acid [2-(1,3-benzothiazol-2-yl)-5-[(4-propoxybenzoyl)amino]phenyl] ester Formula: C33H30N2O5S MolecularWeight: 566.6667

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)C3=NC4=CC=CC=C4S3)OC(=O)C5=CC=C(C=C5)OCCC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)C3=NC4=CC=CC=C4S3)OC(=O)C5=CC=C(C=C5)OCCC

InChI

InChI=1S/C33H30N2O5S/c1-3-19-38-25-14-9-22(10-15-25)31(36)34-24-13-18-27(32-35-28-7-5-6-8-30(28)41-32)29(21-24)40-33(37)23-11-16-26(17-12-23)39-20-4-2/h5-18,21H,3-4,19-20H2,1-2H3,(H,34,36)