methyl 4-[(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC=C2SC1=NC(=O)C3=CC=C(C=C3)C(=O)OC)OCC

Isomeric SMILES

CCN1C2=C(C=CC=C2SC1=NC(=O)C3=CC=C(C=C3)C(=O)OC)OCC

InChI

InChI=1S/C20H20N2O4S/c1-4-22-17-15(26-5-2)7-6-8-16(17)27-20(22)21-18(23)13-9-11-14(12-10-13)19(24)25-3/h6-12H,4-5H2,1-3H3