methyl 3-(6-propan-2-yl-2-thiophen-2-ylcarbonylimino-1,3-benzothiazol-3-yl)propanoate

Systemtic Name: methyl 3-(6-propan-2-yl-2-thiophen-2-ylcarbonylimino-1,3-benzothiazol-3-yl)propanoate Openeye Name: methyl 3-[6-isopropyl-2-(thiophene-2-carbonylimino)-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[oxo(thiophen-2-yl)methyl]imino-6-propan-2-yl-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[6-propan-2-yl-2-(thiophene-2-carbonylimino)-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[6-isopropyl-2-(2-thenoylimino)-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C19H20N2O3S2 MolecularWeight: 388.5037

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CS3)S2)CCC(=O)OC

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CS3)S2)CCC(=O)OC

InChI

InChI=1S/C19H20N2O3S2/c1-12(2)13-6-7-14-16(11-13)26-19(21(14)9-8-17(22)24-3)20-18(23)15-5-4-10-25-15/h4-7,10-12H,8-9H2,1-3H3