N-(1,3-benzothiazol-2-yl)-3,4-diethoxy-benzamide; 3,4-diethoxybenzoic acid

Systemtic Name: N-(1,3-benzothiazol-2-yl)-3,4-diethoxy-benzamide; 3,4-diethoxybenzoic acid Openeye Name: N-(1,3-benzothiazol-2-yl)-3,4-diethoxy-benzamide; 3,4-diethoxybenzoic acid CAS Name: N-(1,3-benzothiazol-2-yl)-3,4-diethoxybenzamide; 3,4-diethoxybenzoic acid IUPAC Name: N-(1,3-benzothiazol-2-yl)-3,4-diethoxybenzamide; 3,4-diethoxybenzoic acid Traditional Name: N-(1,3-benzothiazol-2-yl)-3,4-diethoxy-benzamide; 3,4-diethoxybenzoic acid Formula: C29H32N2O7S MolecularWeight: 552.63858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=NC3=CC=CC=C3S2)OCC.CCOC1=C(C=C(C=C1)C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=NC3=CC=CC=C3S2)OCC.CCOC1=C(C=C(C=C1)C(=O)O)OCC

InChI

InChI=1S/C18H18N2O3S.C11H14O4/c1-3-22-14-10-9-12(11-15(14)23-4-2)17(21)20-18-19-13-7-5-6-8-16(13)24-18;1-3-14-9-6-5-8(11(12)13)7-10(9)15-4-2/h5-11H,3-4H2,1-2H3,(H,19,20,21);5-7H,3-4H2,1-2H3,(H,12,13)