methyl 4-[[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate

Systemtic Name: methyl 4-[[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate Openeye Name: methyl 4-[[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate CAS Name: 4-[[[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate Traditional Name: 4-[[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]carbamoyl]benzoic acid methyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N(C(=NC(=O)C3=CC=C(C=C3)C(=O)OC)S2)CCOC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N(C(=NC(=O)C3=CC=C(C=C3)C(=O)OC)S2)CCOC)C

InChI

InChI=1S/C21H22N2O4S/c1-13-11-14(2)18-17(12-13)23(9-10-26-3)21(28-18)22-19(24)15-5-7-16(8-6-15)20(25)27-4/h5-8,11-12H,9-10H2,1-4H3