[2-(3-methoxypropylamino)-2-oxidanylidene-ethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate

Systemtic Name: [2-(3-methoxypropylamino)-2-oxidanylidene-ethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate Openeye Name: [2-(3-methoxypropylamino)-2-oxo-ethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-2-propenoic acid [2-(3-methoxypropylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methoxypropylamino)-2-oxoethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)acrylic acid [2-keto-2-(3-methoxypropylamino)ethyl] ester Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)COC(=O)C=CC1=NC2=CC=CC=C2S1

Isomeric SMILES

COCCCNC(=O)COC(=O)/C=C/C1=NC2=CC=CC=C2S1

InChI

InChI=1S/C16H18N2O4S/c1-21-10-4-9-17-14(19)11-22-16(20)8-7-15-18-12-5-2-3-6-13(12)23-15/h2-3,5-8H,4,9-11H2,1H3,(H,17,19)/b8-7+