methyl 4-[(4-methyl-2-oxidanylidene-chromen-7-yl)carbamothioylamino]butanoate

Systemtic Name: methyl 4-[(4-methyl-2-oxidanylidene-chromen-7-yl)carbamothioylamino]butanoate Openeye Name: methyl 4-[(4-methyl-2-oxo-chromen-7-yl)carbamothioylamino]butanoate CAS Name: 4-[[[(4-methyl-2-oxo-1-benzopyran-7-yl)amino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(4-methyl-2-oxochromen-7-yl)carbamothioylamino]butanoate Traditional Name: 4-[(2-keto-4-methyl-chromen-7-yl)thiocarbamoylamino]butyric acid methyl ester Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NCCCC(=O)OC

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NCCCC(=O)OC

InChI

InChI=1S/C16H18N2O4S/c1-10-8-15(20)22-13-9-11(5-6-12(10)13)18-16(23)17-7-3-4-14(19)21-2/h5-6,8-9H,3-4,7H2,1-2H3,(H2,17,18,23)