(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 2-[(5-methylthiophen-2-yl)carbonylamino]ethanoate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 2-[(5-methylthiophen-2-yl)carbonylamino]ethanoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate CAS Name: 2-[[(5-methyl-2-thiophenyl)-oxomethyl]amino]acetic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate Traditional Name: 2-[(5-methylthiophene-2-carbonyl)amino]acetic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C17H16ClNO5S MolecularWeight: 381.83064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)NCC(=O)OCC2=C3C(=CC(=C2)Cl)COCO3

Isomeric SMILES

CC1=CC=C(S1)C(=O)NCC(=O)OCC2=C3C(=CC(=C2)Cl)COCO3

InChI

InChI=1S/C17H16ClNO5S/c1-10-2-3-14(25-10)17(21)19-6-15(20)23-8-12-5-13(18)4-11-7-22-9-24-16(11)12/h2-5H,6-9H2,1H3,(H,19,21)