methyl 4-[(3-ethyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate

Systemtic Name: methyl 4-[(3-ethyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate Openeye Name: methyl 4-[(3-ethyl-6-isopropyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate CAS Name: 4-[[(3-ethyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-ethyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate Traditional Name: 4-[(3-ethyl-6-isopropyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoic acid methyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(C)C)SC1=NC(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(C)C)SC1=NC(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H22N2O3S/c1-5-23-17-11-10-16(13(2)3)12-18(17)27-21(23)22-19(24)14-6-8-15(9-7-14)20(25)26-4/h6-13H,5H2,1-4H3