methyl 2-[6-ethoxy-2-(4-phenylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-ethoxy-2-(4-phenylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-ethoxy-2-(4-phenylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-ethoxy-2-[oxo-(4-phenylphenyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-ethoxy-2-(4-phenylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-ethoxy-2-(4-phenylbenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)S2)CC(=O)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)S2)CC(=O)OC

InChI

InChI=1S/C25H22N2O4S/c1-3-31-20-13-14-21-22(15-20)32-25(27(21)16-23(28)30-2)26-24(29)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-15H,3,16H2,1-2H3