methyl 4-[(5,6-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate

Systemtic Name: methyl 4-[(5,6-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate Openeye Name: methyl 4-[(5,6-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate CAS Name: 4-[[(5,6-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5,6-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate Traditional Name: 4-[(5,6-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoic acid methyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC(=C(C=C2SC1=NC(=O)C3=CC=C(C=C3)C(=O)OC)OC)OC

Isomeric SMILES

CCCN1C2=CC(=C(C=C2SC1=NC(=O)C3=CC=C(C=C3)C(=O)OC)OC)OC

InChI

InChI=1S/C21H22N2O5S/c1-5-10-23-15-11-16(26-2)17(27-3)12-18(15)29-21(23)22-19(24)13-6-8-14(9-7-13)20(25)28-4/h6-9,11-12H,5,10H2,1-4H3