ethyl 2-[6-acetamido-2-[4-(phenylmethyl)phenyl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[6-acetamido-2-[4-(phenylmethyl)phenyl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-acetamido-2-(4-benzylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-acetamido-2-[oxo-[4-(phenylmethyl)phenyl]methyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-acetamido-2-(4-benzylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-acetamido-2-(4-benzylbenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C27H25N3O4S MolecularWeight: 487.5701

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)NC(=O)C)SC1=NC(=O)C3=CC=C(C=C3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)NC(=O)C)SC1=NC(=O)C3=CC=C(C=C3)CC4=CC=CC=C4

InChI

InChI=1S/C27H25N3O4S/c1-3-34-25(32)17-30-23-14-13-22(28-18(2)31)16-24(23)35-27(30)29-26(33)21-11-9-20(10-12-21)15-19-7-5-4-6-8-19/h4-14,16H,3,15,17H2,1-2H3,(H,28,31)