methyl 3-methyl-2-[3-oxidanylidene-4-[(phenylmethyl)amino]-1,2-thiazol-2-yl]but-3-enoate

Systemtic Name: methyl 3-methyl-2-[3-oxidanylidene-4-[(phenylmethyl)amino]-1,2-thiazol-2-yl]but-3-enoate Openeye Name: methyl 2-[4-(benzylamino)-3-oxo-isothiazol-2-yl]-3-methyl-but-3-enoate CAS Name: 3-methyl-2-[3-oxo-4-[(phenylmethyl)amino]-2-isothiazolyl]-3-butenoic acid methyl ester IUPAC Name: methyl 2-[4-(benzylamino)-3-oxo-1,2-thiazol-2-yl]-3-methylbut-3-enoate Traditional Name: 2-[4-(benzylamino)-3-keto-4-isothiazolin-2-yl]-3-methyl-but-3-enoic acid methyl ester Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(C(=O)OC)N1C(=O)C(=CS1)NCC2=CC=CC=C2

Isomeric SMILES

CC(=C)C(C(=O)OC)N1C(=O)C(=CS1)NCC2=CC=CC=C2

InChI

InChI=1S/C16H18N2O3S/c1-11(2)14(16(20)21-3)18-15(19)13(10-22-18)17-9-12-7-5-4-6-8-12/h4-8,10,14,17H,1,9H2,2-3H3