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

Systemtic Name: methyl 2-[2-(4-nitrophenyl)carbonylimino-6-propan-2-yl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-isopropyl-2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(4-nitrophenyl)-oxomethyl]imino-6-propan-2-yl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(4-nitrobenzoyl)imino-6-propan-2-yl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-isopropyl-2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])S2)CC(=O)OC

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])S2)CC(=O)OC

InChI

InChI=1S/C20H19N3O5S/c1-12(2)14-6-9-16-17(10-14)29-20(22(16)11-18(24)28-3)21-19(25)13-4-7-15(8-5-13)23(26)27/h4-10,12H,11H2,1-3H3