methyl 4-[(4-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate

Systemtic Name: methyl 4-[(4-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate Openeye Name: methyl 4-[(3-allyl-4-methyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate CAS Name: 4-[[(4-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate Traditional Name: 4-[(3-allyl-4-methyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoic acid methyl ester Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=NC(=O)C3=CC=C(C=C3)C(=O)OC)N2CC=C

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=NC(=O)C3=CC=C(C=C3)C(=O)OC)N2CC=C

InChI

InChI=1S/C20H18N2O3S/c1-4-12-22-17-13(2)6-5-7-16(17)26-20(22)21-18(23)14-8-10-15(11-9-14)19(24)25-3/h4-11H,1,12H2,2-3H3