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

Systemtic Name: methyl 4-[(6-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate Openeye Name: methyl 4-[(3-allyl-6-ethoxy-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate CAS Name: 4-[[(6-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(6-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate Traditional Name: 4-[(3-allyl-6-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=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)C(=O)OC)S2)CC=C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)C(=O)OC)S2)CC=C

InChI

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