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

Systemtic Name: methyl 4-[(4-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate Openeye Name: methyl 4-[(4-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate CAS Name: 4-[[(4-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate Traditional Name: 4-[(4-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoic acid methyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O4S/c1-4-12-22-17-15(25-2)6-5-7-16(17)27-20(22)21-18(23)13-8-10-14(11-9-13)19(24)26-3/h5-11H,4,12H2,1-3H3