[2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-2-oxidanylidene-ethyl] 4-pentoxybenzoate

Systemtic Name: [2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-2-oxidanylidene-ethyl] 4-pentoxybenzoate Openeye Name: [2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxo-ethyl] 4-pentoxybenzoate CAS Name: 4-pentoxybenzoic acid [2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] 4-pentoxybenzoate Traditional Name: 4-amoxybenzoic acid [2-keto-2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]ethyl] ester Formula: C28H28N2O4S MolecularWeight: 488.59792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C

InChI

InChI=1S/C28H28N2O4S/c1-3-4-5-16-33-23-13-9-21(10-14-23)28(32)34-18-26(31)29-22-11-7-20(8-12-22)27-30-24-15-6-19(2)17-25(24)35-27/h6-15,17H,3-5,16,18H2,1-2H3,(H,29,31)