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

Systemtic Name: methyl 4-[(4-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate Openeye Name: methyl 4-[(3-allyl-4-ethoxy-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate CAS Name: 4-[[(4-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate Traditional Name: 4-[(3-allyl-4-ethoxy-1,3-benzothiazol-2-ylidene)carbamoyl]benzoic acid methyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=NC(=O)C3=CC=C(C=C3)C(=O)OC)N2CC=C

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=NC(=O)C3=CC=C(C=C3)C(=O)OC)N2CC=C

InChI

InChI=1S/C21H20N2O4S/c1-4-13-23-18-16(27-5-2)7-6-8-17(18)28-21(23)22-19(24)14-9-11-15(12-10-14)20(25)26-3/h4,6-12H,1,5,13H2,2-3H3