methyl 4-[(5,6-dimethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate

Systemtic Name: methyl 4-[(5,6-dimethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate Openeye Name: methyl 4-[(3-allyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate CAS Name: 4-[[(5,6-dimethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5,6-dimethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate Traditional Name: 4-[(3-allyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoic acid methyl ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=NC(=O)C3=CC=C(C=C3)C(=O)OC)N2CC=C

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=NC(=O)C3=CC=C(C=C3)C(=O)OC)N2CC=C

InChI

InChI=1S/C21H20N2O3S/c1-5-10-23-17-11-13(2)14(3)12-18(17)27-21(23)22-19(24)15-6-8-16(9-7-15)20(25)26-4/h5-9,11-12H,1,10H2,2-4H3