2-[4-[(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)carbamothioylamino]phenyl]ethanoic acid

Systemtic Name: 2-[4-[(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)carbamothioylamino]phenyl]ethanoic acid Openeye Name: 2-[4-[(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)carbamothioylamino]phenyl]acetic acid CAS Name: 2-[4-[[[(2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)amino]-sulfanylidenemethyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)carbamothioylamino]phenyl]acetic acid Traditional Name: 2-[4-[(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)thiocarbamoylamino]phenyl]acetic acid Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(=NC(=S)NC3=CC=C(C=C3)CC(=O)O)CC2OC(=C1)O

Isomeric SMILES

CC1=C2CCC(=NC(=S)NC3=CC=C(C=C3)CC(=O)O)CC2OC(=C1)O

InChI

InChI=1S/C19H20N2O4S/c1-11-8-18(24)25-16-10-14(6-7-15(11)16)21-19(26)20-13-4-2-12(3-5-13)9-17(22)23/h2-5,8,16,24H,6-7,9-10H2,1H3,(H,20,26)(H,22,23)